SCHEMBL29090928

SCHEMBL29090928

COc1cccc(F)c1C=CC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KRAS P01116 2/20 0.56
ABCG2 Q9UNQ0 3/20 0.55
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
BCHE P06276 1/20 0.47
APP P05067 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NFE2L2 Q16236 3/20 0.44
MAOA P21397 1/20 0.43
TFEB P19484 1/20 0.42
KMT2A Q03164 1/20 0.42
FDPS P14324 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16587940 0.88 ABCG2 (0.69) KDM4EABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL16585405 0.87 KRAS (0.56) KDM4EKRASABCG2CYP1A1CYP1A2
SCHEMBL16585409 0.87 KRAS (0.56) KDM4EKRASABCG2CYP1A1CYP1A2
SCHEMBL167102 0.84 ABCG2 (0.56) KDM4EKRASABCG2HTTNFE2L2
SCHEMBL167101 0.84 ABCG2 (0.56) KDM4EKRASABCG2HTTNFE2L2
SCHEMBL16585553 0.83 KRAS (0.52) KDM4EKRASABCG2CYP1A1CYP1A2
SCHEMBL16585551 0.83 KRAS (0.52) KDM4EKRASABCG2CYP1A1CYP1A2
SCHEMBL9907019 0.82 KRAS (0.54) KRASABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL18135275 0.78 IAPP (0.54) KRASABCG2HTTKMT2ALMNA
SCHEMBL29090922 0.77 KDM4E (0.71) KDM4EBCHENFE2L2TFEBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745467-A Composition for tin or tin alloy electroplating comprising a leveling agent 巴斯夫欧洲公司 2023-09-12 CN disclosed